1-(3-chlorophenyl)-3-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)urea
TL;DR: 1-(3-chlorophenyl)-3-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)urea (CAS 303228-08-2) is a chemical compound with molecular formula C13H17ClN4O and molecular weight 280.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-chlorophenyl)-3-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)urea
Also Known As: 1-(3-chlorophenyl)-3-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)urea, (Z)-2-(azepan-2-ylidene)-N-(3-chlorophenyl)hydrazinecarboxamide, N-(3-chlorophenyl)(2-(2,3-dihydro-4H,5H,6H-azepin-7-yl)hydrazino)carboxamide
| Molecular Formula | C13H17ClN4O |
|---|---|
| Molecular Weight | 280.11 g/mol |
| LogP | 2.9386 |
| Topological Polar Surface Area | 65.52 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 280.1091 |
| Heavy Atoms | 19 |
| Complexity | 475.46594 |
Chemical Identifiers
| CAS Number | 303228-08-2 |
|---|---|
| SMILES | C1CCC(=NCC1)NNC(=O)NC2=CC(=CC=C2)Cl |
Product Overview
1-(3-chlorophenyl)-3-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)urea (CAS 303228-08-2), with molecular formula C13H17ClN4O and molecular weight 280.11 g/mol. IUPAC: 1-(3-chlorophenyl)-3-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)urea.
Chemical Property Profile of 1-(3-chlorophenyl)-3-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)urea
Property Insights of 1-(3-chlorophenyl)-3-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)urea
The XLogP value of 2.9386 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-chlorophenyl)-3-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)urea. The TPSA of 65.52 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3-chlorophenyl)-3-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)urea. Following Lipinski's Rule of Five, 1-(3-chlorophenyl)-3-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)urea has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(3-chlorophenyl)-3-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)urea?
The CAS number of 1-(3-chlorophenyl)-3-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)urea is 303228-08-2.
What is the molecular formula of 1-(3-chlorophenyl)-3-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)urea?
The molecular formula of 1-(3-chlorophenyl)-3-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)urea is C13H17ClN4O.
What is the molecular weight of 1-(3-chlorophenyl)-3-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)urea?
The molecular weight of 1-(3-chlorophenyl)-3-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)urea is 280.11 g/mol.
Where can I buy 1-(3-chlorophenyl)-3-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)urea?
You can request a quote for 1-(3-chlorophenyl)-3-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-chlorophenyl)-3-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-chlorophenyl)-3-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.